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Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate - CAS 881476-28-4

Catalog:	BB052841
Product Name:	Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
CAS:	881476-28-4
Synonyms:	ethyl3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxylate
Molecular Weight:	340.26
Molecular Formula:	C14H11F3N4O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)CN2C3=CC=CC=C3N=C2C(F)(F)F
InChI:	InChI=1S/C14H11F3N4O3/c1-2-23-12(22)11-19-10(20-24-11)7-21-9-6-4-3-5-8(9)18-13(21)14(15,16)17/h3-6H,2,7H2,1H3
InChI Key:	DQHBQTGRUBXLJA-UHFFFAOYSA-N
Boiling Point:	438.7±55.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm3

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Related Functional Groups

Benzimidazoles

[1253394-89-6]
1-(butan-2-yl)-5-chloro-1H-1,3-benzodiazole-2-carbaldehyde
[1378947-22-8]
6-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole
[884069-38-9]
4-(2-Methylbenzimidazolyl)benzenecarbonitrile
[1225283-27-1]
4,5-difluoro-1H-1,3-benzodiazole-2-carboxylic acid
[22492-14-4]
1-(4-Nitrophenyl)-1H-benzimidazole
[38385-95-4]
2-(4-Piperidyl)-1H-benzoimidazole

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[452-76-6]
2,4-Difluorotoluene
[4185-62-0]
2-Bromo-1-nitronaphthalene
[2114-39-8]
2-Bromo-1-phenylpropane

Oxadiazole/Thiadiazole

[1170977-40-8]
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[938459-04-2]
N-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
[1185401-36-8]
N-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine hydrochloride

Complexity:	465
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	340.07832471
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.07832471
Rotatable Bond Count:	5
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8